Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL6551818 | 1.00 | — | — | |
| Water SCHEMBL253270 | 0.82 | — | — | |
| Water SCHEMBL9043508 | 0.82 | — | — | |
| Water SCHEMBL10938611 | 0.82 | — | — | |
| Water SCHEMBL22776065 | 0.82 | — | — | |
| Water SCHEMBL25376347 | 0.82 | — | — | |
| Water SCHEMBL16822414 | 0.82 | — | — | |
| Water SCHEMBL15756782 | 0.82 | — | — | |
| Water SCHEMBL117776 | 0.82 | — | — | |
| Water SCHEMBL1323986 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-221325110-U | Copper water flow groove for copper smelting | 海亮（安徽）铜业有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-108948588-A | A kind of preparation method of the ageing-resistant low-temperature resistant plastic flexible pipe of outdoor machine of air-conditioner | 苏州环亚软管塑业有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-108948588-A | A kind of preparation method of the ageing-resistant low-temperature resistant plastic flexible pipe of outdoor machine of air-conditioner | 苏州环亚软管塑业有限公司 | 2018-12-07 | — | — | CN | disclosed |
| US-10106736-B2 | Etching agent for semiconductor substrate | SETTSU OIL MILL., INC. (JP) | 2018-10-23 | — | — | US | disclosed |
| US-20170306229-A1 | ETCHING AGENT FOR SEMICONDUCTOR SUBSTRATE | SETTSU OIL MILL., INC. (JP) | 2017-10-26 | — | — | US | disclosed |
| CN-105907220-A | Anti-corrosion Buddha statue coloring liquid | 南京晨光艺术工程有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-1071541-C | Antimicrobial agent containing allyl isothiocyanate and method for controlling release rate of allyl isothiocyanate | GREEN CROSS CORP (JP) | 2001-09-26 | — | — | CN | disclosed |
| US-5880150-A | ALLYL ISOTHIOCYANATE PACKAGED AND ENCLOSED IN HYDROPHILIC PACKAGING MATERIAL COMPRISING POROUS STRUCTURE HAVING PART OF PORES FILLED OR NARROWED BY RESIN IMPERVIOUS TO ITS VAPOR | THE GREEN CROSS CORPORATION (JP) | 1999-03-09 | — | — | US | disclosed |
| CN-1117706-A | Antimicrobial containing allyl isothiocyanate and method of controlling allyl isothiocyanate release velocity | GREEN CROSS CORP (JP) | 1996-02-28 | — | — | CN | disclosed |